3-(CARBOXYMETHYL)ADAMANTANE-1-CARBOXYLIC ACID

CAS No.
56531-58-9
CCD No.
CCD00101942
Formula
C13 H18 O4
MolWeight
238.281

Basic Information

Product Name: 3-(CARBOXYMETHYL)ADAMANTANE-1-CARBOXYLIC ACID
CAS: 56531-58-9
English Synonyms: 3-(CARBOXYMETHYL)ADAMANTANE-1-CARBOXYLIC ACID ; 3-CARBOXY-1-ADAMANTANEACETIC ACID ; 3-CARBOXYADAMANTANE-1-ACETIC ACID ; TRICYCLO[3.3.1.1(3,7)]DECANE-1-ACETIC ACID, 3-CARBOXY-
MDL Number.: MFCD00218940
H bond acceptor: 4
H bond donor: 2
Smile: C1[C@H]2C[C@]3(C[C@@H]1C[C@@](C2)(C3)C(=O)O)CC(=O)O
InChi: InChI=1S/C13H18O4/c14-10(15)6-12-2-8-1-9(3-12)5-13(4-8,7-12)11(16)17/h8-9H,1-7H2,(H,14,15)(H,16,17)/t8-,9+,12-,13-
InChiKey: InChIKey=YQXJBYAQGPMUEP-PUKADYQLSA-N

Property

Melting Point: 91-95 DEG C
Comments: STORAGE TEMPERATURE: 2-8 DEG C
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H302
hazard symbol: Xn
Risk Code: R:22-52/53
Safe Code: S:61
WGK Germany: 3

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